3-[2-(2-methylphenyl)prop-2-enyl]aniline

C16H17N — CID 143547599

IUPAC3-[2-(2-methylphenyl)prop-2-enyl]aniline
SMILESC=C(Cc1cccc(N)c1)c1ccccc1C
InChIInChI=1S/C16H17N/c1-12-6-3-4-9-16(12)13(2)10-14-7-5-8-15(17)11-14/h3-9,11H,2,10,17H2,1H3
InChIKeyIIROSIVIRIPKSS-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.83
Rot. Bonds3

About 3-[2-(2-methylphenyl)prop-2-enyl]aniline

3-[2-(2-methylphenyl)prop-2-enyl]aniline (PubChem CID 143547599) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)prop-2-enyl]aniline.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)prop-2-enyl]aniline
PubChem CID143547599
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-[2-(2-methylphenyl)prop-2-enyl]aniline
SMILESC=C(Cc1cccc(N)c1)c1ccccc1C
InChIInChI=1S/C16H17N/c1-12-6-3-4-9-16(12)13(2)10-14-7-5-8-15(17)11-14/h3-9,11H,2,10,17H2,1H3
InChIKeyIIROSIVIRIPKSS-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
3-[(2-methylphenyl)methyl]aniline
CID 116925822
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692
3-[2-[4-[1-(3-aminophenyl)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propyl]aniline
CID 22841438
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
4-benzyl-3-methylaniline
CID 12846586
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
4-(2-methylphenyl)pent-4-enamide
CID 146545634

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)prop-2-enyl]aniline?
The IUPAC name of 3-[2-(2-methylphenyl)prop-2-enyl]aniline (CID 143547599) is 3-[2-(2-methylphenyl)prop-2-enyl]aniline.
What is the SMILES notation for 3-[2-(2-methylphenyl)prop-2-enyl]aniline?
The canonical SMILES for 3-[2-(2-methylphenyl)prop-2-enyl]aniline is C=C(Cc1cccc(N)c1)c1ccccc1C.
What is the InChIKey of 3-[2-(2-methylphenyl)prop-2-enyl]aniline?
The InChIKey is IIROSIVIRIPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-6-3-4-9-16(12)13(2)10-14-7-5-8-15(17)11-14/h3-9,11H,2,10,17H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)prop-2-enyl]aniline?
3-[2-(2-methylphenyl)prop-2-enyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)prop-2-enyl]aniline is sourced from PubChem (CID 143547599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).